3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

C24H26F4N6O — CID 55990581

IUPAC3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F4N6O/c1-16-30-31-32-34(16)22(14-17-5-7-20(25)8-6-17)23(35)29-21-9-11-33(12-10-21)15-18-3-2-4-19(13-18)24(26,27)28/h2-8,13,21-22H,9-12,14-15H2,1H3,(H,29,35)
InChIKeyCJLKBCMTZMLMLQ-UHFFFAOYSA-N
MW490.51 g/mol
LogP3.70
Rot. Bonds7

About 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (PubChem CID 55990581) has the molecular formula C24H26F4N6O and a molecular weight of 490.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
PubChem CID55990581
Molecular FormulaC24H26F4N6O
Molecular Weight490.51 g/mol
Exact Mass490.21
IUPAC Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F4N6O/c1-16-30-31-32-34(16)22(14-17-5-7-20(25)8-6-17)23(35)29-21-9-11-33(12-10-21)15-18-3-2-4-19(13-18)24(26,27)28/h2-8,13,21-22H,9-12,14-15H2,1H3,(H,29,35)
InChIKeyCJLKBCMTZMLMLQ-UHFFFAOYSA-N
XLogP3.70
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
5-ethyl-1-(4-fluorophenyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55946015
4-[[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 167874854
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
N-cyclopentyl-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 18088721
6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide
CID 56511189
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55878063

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide (CID 55990581) is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
The InChIKey is CJLKBCMTZMLMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N6O/c1-16-30-31-32-34(16)22(14-17-5-7-20(25)8-6-17)23(35)29-21-9-11-33(12-10-21)15-18-3-2-4-19(13-18)24(26,27)28/h2-8,13,21-22H,9-12,14-15H2,1H3,(H,29,35).
What are the key properties of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide?
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide has a molecular weight of 490.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 55990581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).